TELINAVIR

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IZF55EH3CG

Structure
InChI Key ZILOOGIOHVCEKS-HZFUHODCSA-N
Smile CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C
InChI
InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H44N6O5
Molecular Weight 604.75
AlogP 2.76
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 13.0
Polar Surface Area 166.75
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 44.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR HIV-1 protease inhibitor Other PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- 6 - - -
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily
21 6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 143224-34-4
ChEMBL CHEMBL322241
DrugBank DB12178
FDA SRS IZF55EH3CG
PubChem 382974
SureChEMBL SCHEMBL623164
CONTENTS